8HUI

Crystal structure of DFA I-forming Inulin Lyase from Streptomyces peucetius subsp. caesius ATCC 27952 in complex with GF4, DFA I, and fructose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978520
Spacegroup name	P 21 21 21
Unit cell lengths	97.760, 105.600, 131.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.840 - 1.440
R-factor	0.154
Rwork	0.154
R-free	0.16810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.190
Data reduction software	XDS (BUILT=20220220)
Data scaling software	XSCALE (BUILT=20220220)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.840	1.490
High resolution limit [Å]	1.440	1.440
Rmerge	0.100	0.921
Rmeas	0.105	0.962
Number of reflections	247198	24175
<I/σ(I)>	17.6
Completeness [%]	99.7
Redundancy	12.7
CC(1/2)	0.998	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289.15	0.1 M MES monohydrate, 12% Polyethylene glycol 20,000